SCHEMBL20064757

SCHEMBL20064757

CCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EIF4A1 P60842 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAD51 Q06609 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PHGDH O43175 1/20 0.38
GAA P10253 1/20 0.38
IGFBP3 P17936 1/20 0.38
F2RL3 Q96RI0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18198342 0.87 RAB9A (0.52) RAB9ASMN1; SMN2MAPTALDH1A1RXFP1
SCHEMBL20064752 0.85 ALDH1A1 (0.38) MCL1MAPTTHRBALDH1A1EIF4A1
SCHEMBL20064769 0.83 MCL1 (0.50) MCL1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20064790 0.82 FYN (0.40) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20064751 0.82 KDM4E (0.40) MAPTALDH1A1GAA
SCHEMBL20064760 0.81 FYN (0.43) MAPTALDH1A1
SCHEMBL20064768 0.81 NPC1 (0.41) MCL1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20064770 0.81 MET (0.44) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL22223205 0.80 KDM4E (0.38) MCL1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20064775 0.78 KMT2A (0.46) MCL1RAB9ASMN1; SMN2MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP MCL1 4428/4885RAB9A 1227/4885SMN1; SMN2 515/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.